SCHEMBL3282015

SCHEMBL3282015

O=[N+]([O-])c1[c]cc(N2CCOCC2)cc1

nearest known ligand 0.54

Predicted protein targets (top 20)

geneUniProtsupporting neighboursconfidence
POLB P06746 1/20 0.54
MAPT P10636 13/20 0.52
PKM P14618 2/20 0.52
MITF O75030 2/20 0.51
ALDH1A1 P00352 4/20 0.49
SMN1; SMN2 Q16637 3/20 0.49
NPSR1 Q6W5P4 1/20 0.49
AKR1C3 P42330 1/20 0.48
NPC1 O15118 1/20 0.47
RAB9A P51151 1/20 0.47
MAPK1 P28482 4/20 0.45
TDP1 Q9NUW8 3/20 0.45
MEN1 O00255 2/20 0.45
KMT2A Q03164 2/20 0.45
LMNA P02545 1/20 0.45
TSHR P16473 1/20 0.44
HPGD P15428 2/20 0.44
KDM4E B2RXH2 1/20 0.44
L3MBTL1 Q9Y468 1/20 0.44
NTSR1 P30989 1/20 0.44

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL5544683 0.85 MAPT (0.56) MAPTALDH1A1SMN1; SMN2NPSR1MAPK1
SCHEMBL6189229 0.78 MAPT (0.54) POLBMAPTPKMMITFALDH1A1
SCHEMBL85548 0.78 AKR1C3 (0.71) POLBMAPTPKMALDH1A1SMN1; SMN2
SCHEMBL16654093 0.77 MAPT (0.47) POLBMAPTALDH1A1SMN1; SMN2KMT2A
SCHEMBL9647832 0.73 MITF (0.70) POLBMAPTMITFALDH1A1SMN1; SMN2
SCHEMBL2124826 0.73 MAPT (0.49) POLBMAPTPKMMITFALDH1A1
SCHEMBL23166136 0.73 ALDH1A1 (0.47) MAPTPKMALDH1A1SMN1; SMN2AKR1C3
SCHEMBL574469 0.73 LGMN (0.50) MAPTPKMALDH1A1SMN1; SMN2NPC1
SCHEMBL4383897 0.72 MAPT (0.72) POLBMAPTALDH1A1SMN1; SMN2NPSR1
SCHEMBL18036523 0.72 MAPT (0.75) MAPTPKMALDH1A1SMN1; SMN2NPSR1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 25 patents — showing the first 20. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO claimed
CN-116217548-A Amide compound, preparation method and application thereof 深圳微芯生物科技股份有限公司 2023-06-06 CN disclosed
US-7700655-B2 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2010-04-20 US disclosed
US-20080311074-A1 Inhibitors against activation of NF-kappaB INSTITUTE OF MEDICAL MOLECULAR DESIGN INC. (JP) 2008-12-18 US disclosed
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES INSTITUTE OF MEDICINAL MOLECULAR DESIGN INC. (JP) 2008-09-25 US disclosed
US-20080090779-A1 ANTIALLERGIC AGENTS INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2008-04-17 US disclosed
US-20070185059-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070185110-A1 Antiallergic agents INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-08-09 US disclosed
US-20070042997-A1 Medicament for treatment of dermal pigmentation INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2007-02-22 US disclosed
US-20060122243-A1 Antiallergic INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-06-08 US disclosed
US-20060019958-A1 Immunity-related protein kinase inhibitors INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-26 US disclosed
US-20060014811-A1 Medicament for treatment of cancer INSTITUTE OF MEDICINAL MOLECULAR DESIGN, INC. (JP) 2006-01-19 US disclosed
EP-1555018-A1 REMEDIES FOR NEURODEGENERATIVE DISEASES Institute of Medicinal Molecular Design, Inc. (JP) 2005-07-20 EP disclosed
EP-1535609-A1 NF-KB ACTIVATION INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1535610-A1 THERAPEUTIC AGENT FOR CANCER Institute of Medicinal Molecular Design, Inc. (JP) 2005-06-01 EP disclosed
EP-1514544-A1 ANTIALLERGIC Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-16 EP disclosed
EP-1512396-A1 INHIBITORS AGAINST THE ACTIVATION OF AP-1 AND NFAT Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-09 EP disclosed
WO-2005019200-A2 ARYL PIPERIDINE DERIVATIVES AS VLA-1 INTEGRIN ANTAGONISTS AND USES THEREOF ICOS CORPORATION (US) 2005-03-03 WO disclosed
EP-1510210-A1 IMMUNITY-RELATED PROTEIN KINASE INHIBITORS Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed
EP-1510207-A1 THERAPEUTIC DRUG FOR DIABETES Institute of Medicinal Molecular Design, Inc. (JP) 2005-03-02 EP disclosed

Patent text — is the patent's own abstract consistent with the prediction?

For each of this compound's patents that has machine-readable text (9 of them — usually the abstract, not the full specification), we ask MedCPT which protein the text reads most about, and where the chemistry-predicted target lands among 4885 human targets. A high rank means the patent's own wording is consistent with the prediction — a weak, independent signal, not proof of activity.

PatentTitleText reads most aboutPredicted target · text-rank
US-20060019958-A1 Immunity-related protein kinase inhibitors MAP3K1, MAP3K7, MAP3K8 POLB 2247/4885MAPT 2937/4885PKM 823/4885
US-20080311074-A1 Inhibitors against activation of NF-kappaB NFKBIA, IKBKB, RELA POLB 275/4885MAPT 2581/4885PKM 3551/4885
US-20080090779-A1 ANTIALLERGIC AGENTS NAT1, EPX, HRH2 POLB 3649/4885MAPT 2536/4885PKM 2187/4885
US-20060014811-A1 Medicament for treatment of cancer HDAC3, HDAC1, HDAC6 POLB 2360/4885MAPT 2893/4885PKM 2660/4885
US-20060122243-A1 Antiallergic EPX, NAT1, HNMT POLB 3528/4885MAPT 2797/4885PKM 2089/4885
US-20080234233-A1 MEDICAMENT FOR TREATMENT OF NEURODEGENERATIVE DISEASES MAPT, TFEB, MAOA POLB 2533/4885MAPT 1/4885PKM 1667/4885
US-20070185110-A1 Antiallergic agents NAT1, EPX, AHR POLB 3737/4885MAPT 2469/4885PKM 2238/4885
US-20070185059-A1 Antiallergic agents NAT1, EPX, AHR POLB 3792/4885MAPT 2415/4885PKM 2123/4885
US-20070042997-A1 Medicament for treatment of dermal pigmentation TYR, XDH, XPA POLB 1349/4885MAPT 3082/4885PKM 1896/4885

“Text reads most about” is the patent abstract's nearest protein in MedCPT space (background-debiased). Only ~1.4% of patents have machine-readable text, so most compounds won't have this panel.